1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine

C14H21Cl2N3 — CID 171304524

IUPAC1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1c(Cl)cncc1Cl)N1CCNCC1
InChIInChI=1S/C14H21Cl2N3/c1-3-10(2)14(19-6-4-17-5-7-19)13-11(15)8-18-9-12(13)16/h8-10,14,17H,3-7H2,1-2H3/t10?,14-/m1/s1
InChIKeyIHKUBYXMPLGZFH-LNUXAPHWSA-N
MW302.25 g/mol
LogP3.38
Rot. Bonds4

About 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine

1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine (PubChem CID 171304524) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine
PubChem CID171304524
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1c(Cl)cncc1Cl)N1CCNCC1
InChIInChI=1S/C14H21Cl2N3/c1-3-10(2)14(19-6-4-17-5-7-19)13-11(15)8-18-9-12(13)16/h8-10,14,17H,3-7H2,1-2H3/t10?,14-/m1/s1
InChIKeyIHKUBYXMPLGZFH-LNUXAPHWSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine
CID 171289999
1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171277375
1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305449
1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine
CID 171304852
1-[(1R)-2-methyl-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;dihydrochloride
CID 171304731
1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305273
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304375
1-[(1S)-2-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine;dihydrochloride
CID 171305299
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305239
2-chloro-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305294
1-[(1S)-1-(4-chloro-3-nitrophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305349
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine
CID 171304454

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine (CID 171304524) is 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine is CCC(C)[C@H](c1c(Cl)cncc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine?
The InChIKey is IHKUBYXMPLGZFH-LNUXAPHWSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-3-10(2)14(19-6-4-17-5-7-19)13-11(15)8-18-9-12(13)16/h8-10,14,17H,3-7H2,1-2H3/t10?,14-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine?
1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine has a molecular weight of 302.25 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine is sourced from PubChem (CID 171304524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).